N'-methyl-N-penta-1,4-dien-2-ylethanimidamide

C8H14N2 — CID 143760171

IUPACN'-methyl-N-penta-1,4-dien-2-ylethanimidamide
SMILESC=CCC(=C)N/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-5-6-7(2)10-8(3)9-4/h5H,1-2,6H2,3-4H3,(H,9,10)
InChIKeyFGHYISGOKLEXGX-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.71
Rot. Bonds3

About N'-methyl-N-penta-1,4-dien-2-ylethanimidamide

N'-methyl-N-penta-1,4-dien-2-ylethanimidamide (PubChem CID 143760171) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-methyl-N-penta-1,4-dien-2-ylethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-penta-1,4-dien-2-ylethanimidamide
PubChem CID143760171
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-methyl-N-penta-1,4-dien-2-ylethanimidamide
SMILESC=CCC(=C)N/C(C)=N/C
InChIInChI=1S/C8H14N2/c1-5-6-7(2)10-8(3)9-4/h5H,1-2,6H2,3-4H3,(H,9,10)
InChIKeyFGHYISGOKLEXGX-UHFFFAOYSA-N
XLogP1.71
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-Methylidene-2-propan-2-yl-1,6-dihydro-1,3-diazepine
CID 22959165
N-but-1-en-2-yl-N'-methylethanimidamide
CID 89152931
N'-methyl-N-(3-methylbuta-1,3-dien-2-yl)ethanimidamide
CID 91266873
N'-methyl-N-prop-1-en-2-ylethanimidamide
CID 91470690
N'-methyl-N-prop-1-en-2-ylprop-2-enimidamide
CID 123204319
N,N'-bis(but-2-en-2-yl)propanimidamide
CID 123391975
N'-methyl-N-[(2Z)-penta-2,4-dien-2-yl]ethanimidamide
CID 126636618
N,5-dimethyl-1,3-dihydropyrrol-2-imine
CID 136037612
N-[(Z)-but-2-en-2-yl]-N'-methylpropanimidamide
CID 138527588
N'-ethyl-N-[(E)-hex-3-en-3-yl]ethanimidamide
CID 139497311
N'-methyl-N-prop-1-en-2-ylpropanimidamide
CID 142586456
N'-methyl-N-prop-1-en-2-ylbutanimidamide
CID 143370921

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-penta-1,4-dien-2-ylethanimidamide?
The IUPAC name of N'-methyl-N-penta-1,4-dien-2-ylethanimidamide (CID 143760171) is N'-methyl-N-penta-1,4-dien-2-ylethanimidamide.
What is the SMILES notation for N'-methyl-N-penta-1,4-dien-2-ylethanimidamide?
The canonical SMILES for N'-methyl-N-penta-1,4-dien-2-ylethanimidamide is C=CCC(=C)N/C(C)=N/C.
What is the InChIKey of N'-methyl-N-penta-1,4-dien-2-ylethanimidamide?
The InChIKey is FGHYISGOKLEXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-7(2)10-8(3)9-4/h5H,1-2,6H2,3-4H3,(H,9,10).
What are the key properties of N'-methyl-N-penta-1,4-dien-2-ylethanimidamide?
N'-methyl-N-penta-1,4-dien-2-ylethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-penta-1,4-dien-2-ylethanimidamide is sourced from PubChem (CID 143760171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).